CID 111949

68959-12-6

Structural Information

Molecular Formula
C16H11N3O6S
SMILES
C1=CC(=CC2=C1C=CC(=C2N=NC3=CC=C(C=C3)[N+](=O)[O-])O)S(=O)(=O)O
InChI
InChI=1S/C16H11N3O6S/c20-15-8-2-10-1-7-13(26(23,24)25)9-14(10)16(15)18-17-11-3-5-12(6-4-11)19(21)22/h1-9,20H,(H,23,24,25)
InChIKey
RJQPSYFFJOLUPJ-UHFFFAOYSA-N
Compound name
7-hydroxy-8-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.03687 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04415 175.6
[M+Na]+ 396.02609 188.3
[M+NH4]+ 391.07069 181.6
[M+K]+ 412.00003 184.0
[M-H]- 372.02959 180.5
[M+Na-2H]- 394.01154 183.3
[M]+ 373.03632 179.0
[M]- 373.03742 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.